Aluminium in PDB 3rfu: Crystal Structure of A Copper-Transporting Pib-Type Atpase

The structure of Crystal Structure of A Copper-Transporting Pib-Type Atpase, PDB code: 3rfu was solved by P.Gourdon, X.Liu, T.Skjorringe, J.P.Morth, L.Birk Moller, B.Panyellapedersen, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.150, 72.980, 329.950, 89.96, 90.04, 90.22
R / Rfree (%)	23.5 / 26.1

The structure of Crystal Structure of A Copper-Transporting Pib-Type Atpase also contains other interesting chemical elements:

Fluorine	(F)	16 atoms
Magnesium	(Mg)	4 atoms
Potassium	(K)	4 atoms

The binding sites of Aluminium atom in the Crystal Structure of A Copper-Transporting Pib-Type Atpase (pdb code 3rfu). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 4 binding sites of Aluminium where determined in the Crystal Structure of A Copper-Transporting Pib-Type Atpase, PDB code: 3rfu:
Jump to Aluminium binding site number: 1; 2; 3; 4;

Aluminium binding site 1 out of 4 in the Crystal Structure of A Copper-Transporting Pib-Type Atpase


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Crystal Structure of A Copper-Transporting Pib-Type Atpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Al995 b:0.4 occ:1.00 AL A:ALF995 0.0 0.4 1.0 F2 A:ALF995 1.8 60.1 1.0 F1 A:ALF995 1.8 51.0 1.0 F4 A:ALF995 1.8 37.0 1.0 F3 A:ALF995 1.8 52.0 1.0 OD1 A:ASP426 2.3 0.5 1.0 CG A:ASP426 3.1 86.3 1.0 O A:THR277 3.1 0.4 1.0 OD2 A:ASP426 3.2 74.4 1.0 MG A:MG996 3.6 68.2 1.0 ND2 A:ASN627 3.8 0.0 1.0 N A:THR428 3.8 90.3 1.0 CB A:THR428 3.9 98.5 1.0 O A:THR428 3.9 87.2 1.0 OG1 A:THR428 4.0 87.8 1.0 C A:THR277 4.1 0.8 1.0 CA A:THR428 4.2 99.1 1.0 OD1 A:ASN627 4.4 1.0 1.0 N A:LYS427 4.4 92.6 1.0 OD2 A:ASP628 4.4 53.1 1.0 OG1 A:THR577 4.5 92.4 1.0 CB A:ASP426 4.5 61.1 1.0 CG A:ASN627 4.5 0.4 1.0 C A:THR428 4.5 0.0 1.0 CA A:GLY278 4.7 0.2 1.0 O A:GLY278 4.7 0.7 1.0 N A:GLY278 4.7 0.9 1.0 C A:LYS427 4.8 87.6 1.0 CG A:LYS427 4.9 0.7 1.0 N A:GLY578 4.9 58.9 1.0 CB A:THR577 5.0 89.3 1.0 CA A:THR277 5.0 0.6 1.0 C A:GLY278 5.0 0.4 1.0

Aluminium binding site 2 out of 4 in the Crystal Structure of A Copper-Transporting Pib-Type Atpase


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Crystal Structure of A Copper-Transporting Pib-Type Atpase within 5.0Å range: probe atom residue distance (Å) B Occ B:Al995 b:0.1 occ:1.00 AL B:ALF995 0.0 0.1 1.0 F2 B:ALF995 1.8 80.2 1.0 F1 B:ALF995 1.8 60.1 1.0 F4 B:ALF995 1.8 48.9 1.0 F3 B:ALF995 1.8 63.5 1.0 OD1 B:ASP426 2.3 0.8 1.0 CG B:ASP426 3.1 86.9 1.0 O B:THR277 3.1 0.2 1.0 OD2 B:ASP426 3.2 77.1 1.0 MG B:MG996 3.7 67.2 1.0 ND2 B:ASN627 3.7 0.2 1.0 N B:THR428 3.9 91.6 1.0 CB B:THR428 4.0 98.7 1.0 OG1 B:THR428 4.0 84.6 1.0 C B:THR277 4.0 0.5 1.0 O B:THR428 4.1 86.3 1.0 CA B:THR428 4.3 99.4 1.0 OG1 B:THR577 4.4 92.0 1.0 OD1 B:ASN627 4.4 0.3 1.0 N B:LYS427 4.4 92.5 1.0 OD2 B:ASP628 4.4 57.5 1.0 CG B:ASN627 4.5 1.0 1.0 CB B:ASP426 4.5 59.9 1.0 C B:THR428 4.7 0.8 1.0 CA B:GLY278 4.7 0.0 1.0 N B:GLY278 4.7 0.5 1.0 N B:GLY578 4.8 57.6 1.0 O B:GLY278 4.8 0.5 1.0 CB B:THR577 4.9 90.1 1.0 C B:LYS427 4.9 87.8 1.0 CG B:LYS427 4.9 0.5 1.0 CA B:THR577 4.9 98.2 1.0 CA B:THR277 4.9 1.0 1.0

Aluminium binding site 3 out of 4 in the Crystal Structure of A Copper-Transporting Pib-Type Atpase


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 3 of Crystal Structure of A Copper-Transporting Pib-Type Atpase within 5.0Å range: probe atom residue distance (Å) B Occ C:Al995 b:0.9 occ:1.00 AL C:ALF995 0.0 0.9 1.0 F2 C:ALF995 1.8 61.7 1.0 F1 C:ALF995 1.8 62.0 1.0 F4 C:ALF995 1.8 45.2 1.0 F3 C:ALF995 1.8 57.9 1.0 OD1 C:ASP426 2.3 0.1 1.0 CG C:ASP426 3.1 86.8 1.0 O C:THR277 3.1 0.6 1.0 OD2 C:ASP426 3.2 80.3 1.0 MG C:MG996 3.6 58.3 1.0 ND2 C:ASN627 3.8 0.5 1.0 N C:THR428 3.8 93.1 1.0 CB C:THR428 3.9 98.0 1.0 OG1 C:THR428 4.0 83.9 1.0 C C:THR277 4.1 0.1 1.0 O C:THR428 4.1 83.0 1.0 CA C:THR428 4.3 99.3 1.0 OG1 C:THR577 4.3 96.4 1.0 N C:LYS427 4.3 93.2 1.0 OD1 C:ASN627 4.5 0.0 1.0 OD2 C:ASP628 4.5 56.8 1.0 CB C:ASP426 4.5 58.2 1.0 CG C:ASN627 4.6 0.3 1.0 C C:THR428 4.6 0.5 1.0 CA C:GLY278 4.7 0.1 1.0 N C:GLY278 4.8 0.6 1.0 N C:GLY578 4.8 58.3 1.0 O C:GLY278 4.8 0.5 1.0 C C:LYS427 4.8 88.0 1.0 CG C:LYS427 4.8 0.5 1.0 CB C:THR577 4.8 88.9 1.0 CA C:THR577 4.9 96.1 1.0 CA C:THR277 4.9 0.7 1.0

Aluminium binding site 4 out of 4 in the Crystal Structure of A Copper-Transporting Pib-Type Atpase


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 4 of Crystal Structure of A Copper-Transporting Pib-Type Atpase within 5.0Å range: probe atom residue distance (Å) B Occ D:Al995 b:0.5 occ:1.00 AL D:ALF995 0.0 0.5 1.0 F2 D:ALF995 1.8 80.5 1.0 F1 D:ALF995 1.8 77.5 1.0 F3 D:ALF995 1.8 62.6 1.0 F4 D:ALF995 1.8 57.8 1.0 OD1 D:ASP426 2.2 0.7 1.0 CG D:ASP426 3.0 87.2 1.0 O D:THR277 3.2 0.9 1.0 OD2 D:ASP426 3.2 75.5 1.0 MG D:MG996 3.6 77.5 1.0 ND2 D:ASN627 3.8 0.6 1.0 N D:THR428 3.8 92.5 1.0 CB D:THR428 3.9 98.6 1.0 OG1 D:THR428 4.0 86.3 1.0 O D:THR428 4.1 88.1 1.0 C D:THR277 4.1 0.0 1.0 CA D:THR428 4.3 99.0 1.0 N D:LYS427 4.3 91.9 1.0 OG1 D:THR577 4.3 95.0 1.0 CB D:ASP426 4.4 59.4 1.0 OD2 D:ASP628 4.5 59.8 1.0 OD1 D:ASN627 4.5 1.0 1.0 CG D:ASN627 4.6 0.7 1.0 C D:THR428 4.6 0.6 1.0 CA D:GLY278 4.8 0.7 1.0 N D:GLY578 4.8 53.8 1.0 C D:LYS427 4.8 88.9 1.0 CG D:LYS427 4.8 0.1 1.0 CB D:THR577 4.8 89.5 1.0 N D:GLY278 4.8 0.2 1.0 O D:GLY278 4.8 0.6 1.0 CA D:THR577 4.9 98.7 1.0 CA D:THR277 5.0 0.3 1.0 CA D:LYS427 5.0 91.9 1.0

P.Gourdon, X.Y.Liu, T.Skjorringe, J.P.Morth, L.B.Moller, B.P.Pedersen, P.Nissen. Crystal Structure of A Copper-Transporting Pib-Type Atpase. Nature V. 475 59 2011.
ISSN: ISSN 0028-0836
PubMed: 21716286
DOI: 10.1038/NATURE10191